1,3-dimethyl-3-butenyl salicylate (CAS 80118-10-1) — formula C13H16O3, molecular weight 220.26; category organic chemicals.
| CAS Number | 80118-10-1 |
|---|---|
| Molecular Formula | C13H16O3 |
| Molecular Weight | 220.26 |
| LogP | 4.5 |
| Applications | Use Classification: Fragrance Ingredients, General Manufacturing Information: Benzoic acid, 2-hydroxy-, 1, 3-dimethyl-3-buten-1-yl ester: ACTIVE |
| Category | Organic Chemicals |
Documented applications: Use Classification: Fragrance Ingredients, General Manufacturing Information: Benzoic acid, 2-hydroxy-, 1, 3-dimethyl-3-buten-1-yl ester: ACTIVE.
1,3-dimethyl-3-butenyl salicylate is a carbon-based organic compound with CAS registry number 80118-10-1 and molecular formula C13H16O3 (molecular weight 220.26), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 80118-10-1
Its molecular formula C13H16O3 comprises 13 C, 16 H, 3 O atoms.
Also known as: 1,3-dimethyl-3-butenyl salicylate · 2-羟基苯甲酸-1,3-二甲基-3-丁烯酯
Category: organic chemicals
The CAS registry number of 1,3-dimethyl-3-butenyl salicylate is 80118-10-1.
Molecular formula C13H16O3, molecular weight 220.26.
It is also registered under: 1,3-dimethyl-3-butenyl salicylate, 2-羟基苯甲酸-1,3-二甲基-3-丁烯酯.
Recorded applications: Use Classification: Fragrance Ingredients, General Manufacturing Information: Benzoic acid, 2-hydroxy-, 1, 3-dimethyl-3-buten-1-yl ester: ACTIVE.
Category: Organic Chemicals.
Independent reference data for 1,3-dimethyl-3-butenyl salicylate (CAS 80118-10-1), compiled from public chemistry databases.
| CAS 号 | 80118-10-1 |
|---|---|
| PubChem CID | 16205339 |
| 分子式 | C13H16O3 |
| IUPAC 名称 | 4-methylpent-4-en-2-yl 2-hydroxybenzoate |
| UNII（FDA） | NS00060791 |
| Molecular Weight | 220.26 |
|---|---|
| XLogP3 | 4.5 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 5 |
| Exact Mass | 220.109944368 |
| Monoisotopic Mass | 220.109944368 |
| Topological Polar Surface Area | 46.5 |
| Heavy Atom Count | 16 |
1,3-Dimethyl-3-butenyl salicylate; RefChem:565556; 279-400-4; 80118-10-1; 4-METHYLPENT-4-EN-2-YL 2-HYDROXYBENZOATE; EINECS 279-400-4; Benzoic acid, 2-hydroxy-, 1,3-dimethyl-3-butenyl ester; Benzoic acid, 2-hydroxy-, 1,3-dimethyl-3-buten-1-yl ester; SCHEMBL11138999; SCHEMBL29828270; DTXSID40868560; VBOJHXQVOIZGQO-UHFFFAOYSA-N; NS00060791
| GHS 通报统计 | 100% (90 / 90) |
|---|
| GHS 通报统计 | 100% (90 / 90) |
|---|
2-羟基苯甲酸-1,3-二甲基-3-丁烯酯 · CAS 80118-10-1 · C13H16O3. UNII NS00060791.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 2-羟基苯甲酸-1,3-二甲基-3-丁烯酯